663 lines
18 KiB
Rust
663 lines
18 KiB
Rust
//! Kurucz ATLAS 格式模型读取。
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//!
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//! 重构自 TLUSTY `kurucz.f`。
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//!
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//! 从 unit 8 (fort.8) 读取 Kurucz ATLAS 格式的初始大气模型。
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//! 支持 ATLAS9 和 ATLAS12 格式。
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//!
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//! # 功能
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//!
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//! - 解析 Kurucz ATLAS 模型文件格式
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//! - 支持标准格式和 IFIXDE 固定格式
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//! - 提取温度、密度、电子密度等物理量
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use super::{IoError, Result};
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use crate::tlusty::state::constants::*;
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use std::io::BufRead;
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// f2r_depends: CALLER_HANDLED
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// Fortran KURUCZ performs I/O + physics initialization in one subroutine.
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// Rust architecture separates these:
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// - I/O: read_kurucz() / kurucz() (this file)
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// - Physics: caller must invoke for each depth point:
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// 1. RHONEN (IFIXDE path) or compute AN from pressure (standard path)
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// 2. WNSTOR(id, ...)
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// 3. SABOLF(id, ...) via sabolf_pure()
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// 4. Set IIFOR0 = [1, 2, ..., NLEV0]
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// 5. RATMAT(id, iifor0, -1, a, b)
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// 6. LEVSOL(a, b, poplte, iifor0, nlev0, 1)
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// 7. Store POPUL0(i, id) = POPLTE(i) or POPUL(i, id) = POPLTE(i)
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// 8. Optional: MOLEQ if ifmol > 0 and T < tmolim
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/// Kurucz ATLAS format model reader wrapper (matches Fortran KURUCZ subroutine signature).
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pub fn kurucz<R: BufRead>(ndpth: usize, reader: &mut R) -> Result<KuruczModel> {
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let params = KuruczReadParams {
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max_depth: ndpth,
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..Default::default()
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};
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read_kurucz(¶ms, reader)
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}
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// ============================================================================
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// 常量
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// ============================================================================
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/// 输入参数数量
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const MINPUT: usize = 7;
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// ============================================================================
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// Kurucz 模型头部
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// ============================================================================
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/// Kurucz 模型头部信息
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#[derive(Debug, Clone)]
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pub struct KuruczHeader {
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/// 有效温度 (K)
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pub teff: f64,
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/// 引力对数 (log g, cgs)
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pub grav_log: f64,
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/// 深度点数
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pub nd: usize,
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}
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// ============================================================================
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// Kurucz 深度点数据
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// ============================================================================
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/// 单个深度点的 Kurucz 数据（标准格式）
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#[derive(Debug, Clone)]
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pub struct KuruczDepthPoint {
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/// 深度变量 (X1)
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pub depth: f64,
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/// 温度 (K)
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pub temp: f64,
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/// 粒子密度 × 玻尔兹曼常数 × 温度 (X3, 压力相关)
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pub x3: f64,
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/// 电子密度 (cm⁻³)
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pub elec: f64,
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}
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/// 单个深度点的 Kurucz 数据（IFIXDE 格式）
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#[derive(Debug, Clone)]
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pub struct KuruczIfixdeDepthPoint {
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/// 质量深度 (g/cm²)
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pub dm: f64,
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/// 温度 (K)
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pub temp: f64,
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/// 气压 (dyn/cm²)
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pub pressure: f64,
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/// 中性氢密度 (cm⁻³)
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pub ane0: f64,
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/// 辅助量 1
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pub a1: f64,
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/// 辅助量 2
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pub a2: f64,
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/// 辅助量 3
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pub a3: f64,
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/// 速度场
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pub vel: f64,
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/// 质量密度 (g/cm³)
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pub rho: f64,
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}
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// ============================================================================
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// 输入参数
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// ============================================================================
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/// KURUCZ 读取参数。
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pub struct KuruczReadParams {
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/// 固定深度格式标志 (IFIXDE)
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/// > 0: 使用固定格式读取
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/// = 0: 使用标准 Kurucz 格式
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pub ifixde: i32,
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/// 最大深度点数 (用于数组大小检查)
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pub max_depth: usize,
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}
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impl Default for KuruczReadParams {
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fn default() -> Self {
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Self {
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ifixde: 0,
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max_depth: MDEPTH,
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}
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}
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}
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// ============================================================================
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// 输出结构
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// ============================================================================
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/// KURUCZ 模型读取输出。
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#[derive(Debug, Clone)]
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pub struct KuruczModel {
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/// 深度点数
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pub nd: usize,
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/// 有效温度 (K)
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pub teff: f64,
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/// 引力对数 (log g)
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pub grav_log: f64,
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/// 深度点数据（标准格式）
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pub depth_points: Vec<KuruczDepthPoint>,
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/// 深度点数据（IFIXDE 格式）
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pub depth_points_ifixde: Vec<KuruczIfixdeDepthPoint>,
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/// 插值标志
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pub intrpl: i32,
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/// 是否使用 IFIXDE 格式
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pub is_ifixde: bool,
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}
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impl KuruczModel {
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/// 获取温度数组
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pub fn temperatures(&self) -> Vec<f64> {
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if self.is_ifixde {
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self.depth_points_ifixde.iter().map(|d| d.temp).collect()
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} else {
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self.depth_points.iter().map(|d| d.temp).collect()
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}
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}
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/// 获取电子密度数组
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pub fn electron_densities(&self) -> Vec<f64> {
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if self.is_ifixde {
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self.depth_points_ifixde.iter().map(|d| d.ane0).collect()
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} else {
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self.depth_points.iter().map(|d| d.elec).collect()
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}
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}
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/// 获取质量密度数组
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pub fn densities(&self) -> Vec<f64> {
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if self.is_ifixde {
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self.depth_points_ifixde.iter().map(|d| d.rho).collect()
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} else {
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// 标准格式需要从 X3 计算
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self.depth_points.iter().map(|d| d.x3).collect()
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}
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}
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}
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// ============================================================================
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// 辅助函数
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// ============================================================================
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/// 读取 Kurucz 头部信息 (标准格式)
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///
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/// FORMAT: A15, 6X, F8.5
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fn read_kurucz_header_standard<R: BufRead>(reader: &mut R) -> Result<(String, f64)> {
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let mut line = String::new();
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reader.read_line(&mut line)?;
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if line.len() < 22 {
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return Err(IoError::ParseError(format!(
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"Kurucz header line too short: {}",
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line.len()
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)));
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}
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// A15: 列 1-15 - KUR 字符串
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let kur = line[0..15].trim().to_string();
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// F8.5: 列 22-29 (跳过 6 个字符) - GRAVK
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let gravk: f64 = if line.len() >= 29 {
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line[21..29].trim().parse().unwrap_or(0.0)
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} else {
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0.0
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};
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Ok((kur, gravk))
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}
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/// 从 Kurucz 字符串解析 TEFF
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///
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/// FORMAT: 4X, F8.0
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fn parse_teff_from_kur(kur: &str) -> Result<f64> {
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// TEFF 在字符串中的位置: 'TEFF' 开头，后面是温度值
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if !kur.starts_with("TEFF") {
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return Err(IoError::ParseError(format!(
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"Not a Kurucz model: expected 'TEFF', got '{}'",
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kur
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)));
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}
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// 4X, F8.0: 从第 5 个字符开始读取温度
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if kur.len() < 12 {
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return Err(IoError::ParseError(format!(
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"Kurucz TEFF string too short: '{}'",
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kur
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)));
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}
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let teff_str = kur[4..12].trim();
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teff_str
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.parse()
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.map_err(|e| IoError::ParseError(format!("Failed to parse TEFF: {} in '{}'", e, kur)))
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}
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/// 跳过直到找到 'READ DECK' 行
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fn skip_to_read_deck<R: BufRead>(reader: &mut R) -> Result<i32> {
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let mut kur = String::new();
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loop {
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kur.clear();
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let bytes = reader.read_line(&mut kur)?;
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if bytes == 0 {
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return Err(IoError::UnexpectedEof);
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}
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if kur.trim().starts_with("READ DECK") {
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// 解析深度点数: 10X, I3
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let ndpth_str = if kur.len() >= 13 {
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kur[10..13].trim()
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} else {
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"0"
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};
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let ndpth: i32 = ndpth_str.parse().unwrap_or(0);
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return Ok(ndpth);
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}
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}
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}
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/// 读取固定格式深度数据头部 (IFIXDE > 0 路径)
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///
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/// FORMAT: 4X, F8.0, 9X, F8.5
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fn read_ifixde_header<R: BufRead>(reader: &mut R) -> Result<(f64, f64)> {
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let mut line = String::new();
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reader.read_line(&mut line)?;
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if line.len() < 26 {
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return Err(IoError::ParseError(format!(
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"IFIXDE header line too short: {}",
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line.len()
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)));
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}
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// F8.0: 列 5-12 - TEF
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let tef: f64 = line[4..12].trim().parse().unwrap_or(0.0);
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// F8.5: 列 22-29 - GRAV
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let grav: f64 = if line.len() >= 29 {
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line[21..29].trim().parse().unwrap_or(0.0)
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} else {
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0.0
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};
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Ok((tef, grav))
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}
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/// 跳过 19 行然后读取深度点数
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///
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/// FORMAT: ////////////////////10X,I3/ (19 个斜杠)
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fn read_nd_after_skip<R: BufRead>(reader: &mut R) -> Result<i32> {
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// 跳过 19 行
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for _ in 0..19 {
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let mut line = String::new();
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reader.read_line(&mut line)?;
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}
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// 读取深度点数行: 10X, I3
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let mut line = String::new();
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reader.read_line(&mut line)?;
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// 解析 I3
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let nd: i32 = if line.len() >= 13 {
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line[10..13].trim().parse().unwrap_or(0)
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} else {
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line.trim().parse().unwrap_or(0)
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};
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Ok(nd)
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}
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/// 读取自由格式深度数据 (IFIXDE 路径)
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///
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/// 自由格式: DM, TEMP, P, ANE0, A1, A2, A3, VEL, RHO
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fn read_ifixde_depth<R: BufRead>(reader: &mut R) -> Result<KuruczIfixdeDepthPoint> {
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let mut line = String::new();
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reader.read_line(&mut line)?;
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let values: Vec<f64> = line
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.split_whitespace()
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.filter_map(|s| s.parse().ok())
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.collect();
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if values.len() < 9 {
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return Err(IoError::ParseError(format!(
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"Not enough values in IFIXDE depth line: expected 9, got {} in '{}'",
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values.len(),
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line
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)));
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}
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Ok(KuruczIfixdeDepthPoint {
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dm: values[0],
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temp: values[1],
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pressure: values[2],
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ane0: values[3],
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a1: values[4],
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a2: values[5],
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a3: values[6],
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vel: values[7],
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rho: values[8],
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})
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}
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/// 读取标准格式深度数据
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///
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/// 自由格式: X(1)..X(7)
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fn read_standard_depth<R: BufRead>(reader: &mut R) -> Result<KuruczDepthPoint> {
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let mut line = String::new();
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reader.read_line(&mut line)?;
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let values: Vec<f64> = line
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.split_whitespace()
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.filter_map(|s| s.parse().ok())
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.collect();
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if values.len() < MINPUT {
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return Err(IoError::ParseError(format!(
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"Not enough values in standard depth line: expected {}, got {} in '{}'",
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MINPUT,
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values.len(),
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line
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)));
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}
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Ok(KuruczDepthPoint {
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depth: values[0],
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temp: values[1],
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x3: values[2],
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elec: values[3],
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})
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}
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// ============================================================================
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// 主函数
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// ============================================================================
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/// 读取 Kurucz ATLAS 格式模型。
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///
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/// # 参数
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/// - `params` - 读取参数
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/// - `reader` - BufRead 读取器
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///
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/// # 返回
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/// Kurucz 模型数据或错误
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///
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/// # Fortran 原始代码
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/// ```fortran
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/// SUBROUTINE KURUCZ(NDPTH)
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/// ```
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pub fn read_kurucz<R: BufRead>(
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params: &KuruczReadParams,
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reader: &mut R,
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) -> Result<KuruczModel> {
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if params.ifixde > 0 {
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read_kurucz_ifixde(params, reader)
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} else {
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read_kurucz_standard(params, reader)
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}
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}
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/// 读取标准 Kurucz 格式模型。
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fn read_kurucz_standard<R: BufRead>(
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params: &KuruczReadParams,
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reader: &mut R,
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) -> Result<KuruczModel> {
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// 读取头部
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let (kur, grav_log) = read_kurucz_header_standard(reader)?;
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let teff = parse_teff_from_kur(&kur)?;
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// 跳过直到 'READ DECK'
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let ndpth = skip_to_read_deck(reader)?;
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let nd = (ndpth - 1) as usize;
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if nd > params.max_depth {
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return Err(IoError::ParseError(format!(
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"ND {} exceeds max depth {}",
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nd, params.max_depth
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)));
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}
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// 跳过一行 (TTT)
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let mut dummy = String::new();
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reader.read_line(&mut dummy)?;
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// 读取每个深度点
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let mut depth_points = Vec::with_capacity(nd);
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for _ in 0..nd {
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let dp = read_standard_depth(reader)?;
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depth_points.push(dp);
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}
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// 查找 'BEGIN' 和插值标志
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let mut intrpl = 0i32;
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loop {
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let mut line = String::new();
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let bytes = reader.read_line(&mut line)?;
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if bytes == 0 {
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break;
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}
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if line.trim().starts_with("BEGIN") {
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// 尝试读取插值标志
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let mut intrpl_line = String::new();
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if reader.read_line(&mut intrpl_line).is_ok() {
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intrpl = intrpl_line.trim().parse().unwrap_or(0);
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}
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break;
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}
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}
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Ok(KuruczModel {
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nd,
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teff,
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grav_log,
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depth_points,
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depth_points_ifixde: Vec::new(),
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intrpl,
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is_ifixde: false,
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})
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}
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/// 读取 IFIXDE 格式模型。
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fn read_kurucz_ifixde<R: BufRead>(
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params: &KuruczReadParams,
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reader: &mut R,
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) -> Result<KuruczModel> {
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// 读取头部
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let (teff, grav_log) = read_ifixde_header(reader)?;
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// 读取深度点数
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let nd_raw = read_nd_after_skip(reader)?;
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let nd = (nd_raw - 1) as usize;
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if nd > params.max_depth {
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return Err(IoError::ParseError(format!(
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"ND {} exceeds max depth {}",
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nd, params.max_depth
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)));
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}
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// 读取每个深度点
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let mut depth_points = Vec::with_capacity(nd);
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for _ in 0..nd {
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let dp = read_ifixde_depth(reader)?;
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depth_points.push(dp);
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}
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Ok(KuruczModel {
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nd,
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teff,
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grav_log,
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depth_points: Vec::new(),
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depth_points_ifixde: depth_points,
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intrpl: 0,
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is_ifixde: true,
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})
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}
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/// 从 FortranReader 读取 Kurucz 模型。
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///
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/// 注意：此函数会消耗 reader 的缓冲区。
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pub fn read_kurucz_from_reader<R: BufRead>(
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params: &KuruczReadParams,
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reader: &mut R,
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) -> Result<KuruczModel> {
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read_kurucz(params, reader)
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}
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// ============================================================================
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// 测试
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// ============================================================================
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#[cfg(test)]
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mod tests {
|
||
use super::*;
|
||
use std::io::BufReader;
|
||
|
||
#[test]
|
||
fn test_parse_teff_from_kur() {
|
||
let kur = "TEFF 9750 ";
|
||
let teff = parse_teff_from_kur(kur).unwrap();
|
||
assert!((teff - 9750.0).abs() < 1.0);
|
||
|
||
let kur2 = "TEFF 35000 ";
|
||
let teff2 = parse_teff_from_kur(kur2).unwrap();
|
||
assert!((teff2 - 35000.0).abs() < 1.0);
|
||
}
|
||
|
||
#[test]
|
||
fn test_parse_teff_invalid() {
|
||
let kur = "NOTTEFF 123";
|
||
assert!(parse_teff_from_kur(kur).is_err());
|
||
}
|
||
|
||
#[test]
|
||
fn test_kurucz_depth_point() {
|
||
let dp = KuruczDepthPoint {
|
||
depth: 1.0e-5,
|
||
temp: 10000.0,
|
||
x3: 1.0e5,
|
||
elec: 1.0e12,
|
||
};
|
||
|
||
assert!((dp.depth - 1.0e-5).abs() < 1e-15);
|
||
assert!((dp.temp - 10000.0).abs() < 1e-10);
|
||
}
|
||
|
||
#[test]
|
||
fn test_kurucz_ifixde_depth_point() {
|
||
let dp = KuruczIfixdeDepthPoint {
|
||
dm: 1.0e-5,
|
||
temp: 10000.0,
|
||
pressure: 1.0e5,
|
||
ane0: 1.0e12,
|
||
a1: 0.0,
|
||
a2: 0.0,
|
||
a3: 0.0,
|
||
vel: 0.0,
|
||
rho: 1.0e-7,
|
||
};
|
||
|
||
assert!((dp.dm - 1.0e-5).abs() < 1e-15);
|
||
assert!((dp.temp - 10000.0).abs() < 1e-10);
|
||
assert!((dp.rho - 1.0e-7).abs() < 1e-15);
|
||
}
|
||
|
||
#[test]
|
||
fn test_read_standard_depth() {
|
||
let line = " 1.0E-05 10000.0 1.0E+05 1.0E+12 0.0 0.0 0.0\n";
|
||
let cursor = std::io::Cursor::new(line.as_bytes());
|
||
let mut reader = BufReader::new(cursor);
|
||
|
||
let dp = read_standard_depth(&mut reader).unwrap();
|
||
assert!((dp.depth - 1.0e-5).abs() < 1e-15);
|
||
assert!((dp.temp - 10000.0).abs() < 1e-10);
|
||
assert!((dp.x3 - 1.0e5).abs() < 1e-10);
|
||
assert!((dp.elec - 1.0e12).abs() < 1e-10);
|
||
}
|
||
|
||
#[test]
|
||
fn test_read_ifixde_depth() {
|
||
let line = " 1.0E-05 10000.0 1.0E+05 1.0E+12 0.0 0.0 0.0 0.0 1.0E-07\n";
|
||
let cursor = std::io::Cursor::new(line.as_bytes());
|
||
let mut reader = BufReader::new(cursor);
|
||
|
||
let dp = read_ifixde_depth(&mut reader).unwrap();
|
||
assert!((dp.dm - 1.0e-5).abs() < 1e-15);
|
||
assert!((dp.temp - 10000.0).abs() < 1e-10);
|
||
assert!((dp.pressure - 1.0e5).abs() < 1e-10);
|
||
assert!((dp.rho - 1.0e-7).abs() < 1e-15);
|
||
}
|
||
|
||
#[test]
|
||
fn test_kurucz_model() {
|
||
let model = KuruczModel {
|
||
nd: 3,
|
||
teff: 9750.0,
|
||
grav_log: 4.0,
|
||
depth_points: vec![
|
||
KuruczDepthPoint {
|
||
depth: 1.0e-5,
|
||
temp: 10000.0,
|
||
x3: 1.0e5,
|
||
elec: 1.0e12,
|
||
},
|
||
KuruczDepthPoint {
|
||
depth: 2.0e-5,
|
||
temp: 9000.0,
|
||
x3: 1.2e5,
|
||
elec: 8.0e11,
|
||
},
|
||
KuruczDepthPoint {
|
||
depth: 3.0e-5,
|
||
temp: 8000.0,
|
||
x3: 1.5e5,
|
||
elec: 6.0e11,
|
||
},
|
||
],
|
||
depth_points_ifixde: Vec::new(),
|
||
intrpl: 0,
|
||
is_ifixde: false,
|
||
};
|
||
|
||
assert_eq!(model.nd, 3);
|
||
let temps = model.temperatures();
|
||
assert_eq!(temps.len(), 3);
|
||
assert!((temps[0] - 10000.0).abs() < 1e-10);
|
||
}
|
||
|
||
#[test]
|
||
fn test_read_kurucz_header_standard() {
|
||
// 模拟 Kurucz 头部行
|
||
// FORMAT: A15, 6X, F8.5
|
||
// A15: 列 1-15, 6X: 列 16-21, F8.5: 列 22-29
|
||
// 需要至少 29 个字符
|
||
let header_line = "TEFF 9750 4.00000\n";
|
||
// 0123456789012345678901234567890
|
||
// |A15 |6X |F8.5 |
|
||
let cursor = std::io::Cursor::new(header_line.as_bytes());
|
||
let mut reader = BufReader::new(cursor);
|
||
|
||
let (kur, grav_log) = read_kurucz_header_standard(&mut reader).unwrap();
|
||
assert!(kur.starts_with("TEFF"));
|
||
assert!((grav_log - 4.0).abs() < 0.001);
|
||
}
|
||
|
||
#[test]
|
||
fn test_read_ifixde_header() {
|
||
// 模拟 IFIXDE 头部行
|
||
// FORMAT: 4X, F8.0, 9X, F8.5
|
||
// 4X: 列 1-4, F8.0: 列 5-12, 9X: 列 13-21, F8.5: 列 22-29
|
||
let header_line = " 9750. 4.00000\n";
|
||
// 0123456789012345678901234567890
|
||
// |4X |F8.0 |9X |F8.5 |
|
||
let cursor = std::io::Cursor::new(header_line.as_bytes());
|
||
let mut reader = BufReader::new(cursor);
|
||
|
||
let (teff, grav_log) = read_ifixde_header(&mut reader).unwrap();
|
||
assert!((teff - 9750.0).abs() < 1.0);
|
||
assert!((grav_log - 4.0).abs() < 0.001);
|
||
}
|
||
}
|